(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

C21H24N6O — CID 95282277

IUPAC(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C21H24N6O/c28-21(19-7-3-11-26(16-19)15-17-5-1-8-22-13-17)24-14-18-6-2-9-23-20(18)27-12-4-10-25-27/h1-2,4-6,8-10,12-13,19H,3,7,11,14-16H2,(H,24,28)/t19-/m1/s1
InChIKeySSVLVYPAECDWKJ-LJQANCHMSA-N
MW376.46 g/mol
LogP2.19
Rot. Bonds6

About (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide

(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (PubChem CID 95282277) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
PubChem CID95282277
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
SMILESO=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(Cc2cccnc2)C1
InChIInChI=1S/C21H24N6O/c28-21(19-7-3-11-26(16-19)15-17-5-1-8-22-13-17)24-14-18-6-2-9-23-20(18)27-12-4-10-25-27/h1-2,4-6,8-10,12-13,19H,3,7,11,14-16H2,(H,24,28)/t19-/m1/s1
InChIKeySSVLVYPAECDWKJ-LJQANCHMSA-N
XLogP2.19
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanecarboxamide
CID 31968520
N-[(2-fluorophenyl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 70762061
N,1-dibenzylpiperidine-3-carboxamide
CID 43918745
N-(pyridin-2-ylmethyl)-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 56873982
1-benzyl-N-(6-pyrazol-1-yl-3-pyridinyl)piperidine-3-carboxamide
CID 47804635
(3R)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95353129
(3S)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 95353130
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide
CID 120632731
(2S,4S)-2-methyl-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]piperidine-4-carboxamide;hydrochloride
CID 120632730
1-[1-(3-chloro-2-pyridinyl)piperidin-4-yl]-N-(pyridin-3-ylmethyl)piperidine-3-carboxamide
CID 70755941
1-benzyl-N-(1H-pyrazol-5-ylmethyl)piperidine-3-carboxamide
CID 47072465
(3R)-N-[(1-methylimidazol-2-yl)methyl]-1-[1-(pyridin-3-ylmethyl)piperidin-4-yl]piperidine-3-carboxamide
CID 96581071

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide (CID 95282277) is (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is O=C(NCc1cccnc1-n1cccn1)[C@@H]1CCCN(Cc2cccnc2)C1.
What is the InChIKey of (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
The InChIKey is SSVLVYPAECDWKJ-LJQANCHMSA-N. The full InChI is InChI=1S/C21H24N6O/c28-21(19-7-3-11-26(16-19)15-17-5-1-8-22-13-17)24-14-18-6-2-9-23-20(18)27-12-4-10-25-27/h1-2,4-6,8-10,12-13,19H,3,7,11,14-16H2,(H,24,28)/t19-/m1/s1.
What are the key properties of (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide?
(3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide has a molecular weight of 376.46 g/mol, XLogP of 2.19, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[(2-pyrazol-1-yl-3-pyridinyl)methyl]-1-(pyridin-3-ylmethyl)piperidine-3-carboxamide is sourced from PubChem (CID 95282277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).